L829-0081 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

L829-0081 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
L829-0081 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L829-0081
5-(2H-1,3-benzodioxol-5-yl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L829-0081

Molecular Formula

C19H13N3O3S (C19 H13 N3 O3 S)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole

IUPAC name

5-(2H-13-benzodioxol-5-yl)-3-[3-(2-methyl-13-thiazol-4-yl)phenyl]-124-oxadiazole

SMILES

Cc1nc(-c2cc(-c3noc(-c(cc4)cc5c4OCO5)n3)ccc2)cs1

InChI

InChI=1S/C19H13N3O3S/c1-11-20-15(9-26-11)12-3-2-4-13(7-12)18-21-19(25-22-18)14-5-6-16-17(8-14)24-10-23-16/h2-9H,10H2,1H3

InChI Key

AQRNSBGVFQOOPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.208

Distribution Coefficient, logD

5.208

Water Solubility, LogSw

-5.27

Polar Surface Area

58.300

Acid Dissociation Constant (pKa)

35.12

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

L829-0081 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with L829-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L829-0081?
Check Price and Availability of L829-0081, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L829-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L829-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L829-0081
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L829-0081 available by request